SCHEMBL5017452

SCHEMBL5017452

NCc1ccc(N2CCCCCC2)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.47
TRPV1 Q8NER1 2/20 0.43
CSF1R P07333 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.39
S100B P04271 1/20 0.39
S1PR1 P21453 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
PRMT6 Q96LA8 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL250634 1.00 NOTUM (0.47) NOTUMTRPV1CSF1RALDH1A1GAA
SCHEMBL4449011 0.88 NOTUM (0.47) NOTUMCSF1RALDH1A1GAAHTT
SCHEMBL25201540 0.85 S1PR1 (0.42) NOTUMTRPV1S1PR1TAAR1
SCHEMBL250868 0.85 ALDH1A1 (0.51) NOTUMALDH1A1GAAHTTS1PR1
SCHEMBL251465 0.85 ASIC3 (0.49) ALDH1A1POLBPDE3BPDE3APRMT6
SCHEMBL10088914 0.84 NOTUM (0.47) NOTUMTRPV1CSF1RS1PR1TAAR1
SCHEMBL12141734 0.84 NOTUM (0.47) NOTUMTRPV1ALDH1A1S1PR1PDE3B
SCHEMBL22914786 0.79 ENPP2 (0.46) ALDH1A1
SCHEMBL19603461 0.79 NOTUM (0.45) NOTUMTRPV1TAAR1
SCHEMBL4029065 0.79 ALDH1A1 (0.50) TRPV1CSF1RALDH1A1GAAHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660455-B1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2008-10-15 EP disclosed
US-6933311-B2 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2005-08-23 US disclosed
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES 2005-05-26 US disclosed
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2004-08-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 NOTUM 4317/4885TRPV1 1/4885CSF1R 729/4885
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, TMEM109, VIPR1 NOTUM 4338/4885TRPV1 1/4885CSF1R 802/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.